- InChI
- InChI=1S/C13H24O5/c1-3-5-6-7-9-18-13(15)11-16-10-12(14)17-8-4-2/h3-11H2,1-2H3
- InChI Key
- BTHOZQCNZRWUIA-UHFFFAOYSA-N
- Formula
- C13H24O5
- SMILES
- CCCCCCOC(=O)COCC(=O)OCCC
- Molecular Weight1
- 260.33
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8435 | Relay (1.0) Calculated Property | |
| ΔfG° | -514.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1059.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.080 | Crippen Calculated Property | |
| McVol | 214.780 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | [2144.00; 2144.00] |
|
|
| Inp | 2144.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Tboil | 573.72 | K | Relay (1.0) Calculated Property |
| Tc | 733.12 | K | Relay (1.0) Calculated Property |
| Tfus | 254.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [596.49; 675.85] | J/mol×K | [671.84; 848.38] |
|
| Cp,gas | 596.49 | J/mol×K | 671.84 | Joback Calculated Property |
| Cp,gas | 611.45 | J/mol×K | 701.26 | Joback Calculated Property |
| Cp,gas | 625.72 | J/mol×K | 730.69 | Joback Calculated Property |
| Cp,gas | 639.30 | J/mol×K | 760.11 | Joback Calculated Property |
| Cp,gas | 652.19 | J/mol×K | 789.54 | Joback Calculated Property |
| Cp,gas | 664.37 | J/mol×K | 818.96 | Joback Calculated Property |
| Cp,gas | 675.85 | J/mol×K | 848.38 | Joback Calculated Property |
| η | [0.0001046; 0.0011295] | Pa×s | [402.82; 671.84] |
|
| η | 0.0011295 | Pa×s | 402.82 | Joback Calculated Property |
| η | 0.0006229 | Pa×s | 447.66 | Joback Calculated Property |
| η | 0.0003829 | Pa×s | 492.49 | Joback Calculated Property |
| η | 0.0002553 | Pa×s | 537.33 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 582.17 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 627.00 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 671.84 | Joback Calculated Property |
Similar Compounds
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Sources
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